SCHEMBL9809363

SCHEMBL9809363

O=C(CC(O)C(=O)OC1CCCCC1)SC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.37
NAAA Q02083 2/20 0.36
EPHX1 P07099 2/20 0.36
CYP19A1 P11511 2/20 0.35
HTT P42858 1/20 0.33
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
CACNA1B Q00975 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10404863 0.79 APOBEC3A (0.39) L3MBTL1CYP19A1HTTSMN1; SMN2
SCHEMBL5050116 0.78 L3MBTL1 (0.54) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL5050113 0.78 CYP2C19 (0.50) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL28874666 0.76 L3MBTL1 (0.51) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL17026692 0.76 EPHX1 (0.44) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL9809371 0.76 L3MBTL1 (0.44) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL18175919 0.74 EPHX1 (0.41) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL11177126 0.73 L3MBTL1 (0.42) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL2256215 0.73 EPHX1 (0.50) L3MBTL1CYP2C19NAAAEPHX1CYP19A1
SCHEMBL28750570 0.71 NAAA (0.53) L3MBTL1NAAAEPHX1CYP19A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985485-A HYDROTALCITE RHONE-POULENC CHIMIE (FR) 1991-01-15 US disclosed
US-4963594-A STABILIZERS OF THIOMALIC ACID DIESTERS, ZINC AND GROUP IIA CARBOXYLIC ACID SALTS AND PHENOLATES; MOLDING MATERIALS, COLORFAST RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1990-10-16 US disclosed
US-4921896-A RED PHOSPHORUS, LANTHANIDE, TALC, ZINC SULFIDE OR ZINC OXIDE RHONE-POULENC CHIMIE (FR) 1990-05-01 US disclosed
US-4612339-A YTTRIUM OR LANTHANDIDE COMPOUND; AMMONIUM, ALKALI OR ALKALINE EARTH METAL HALIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-09-16 US disclosed
US-4559372-A ADDITIVES OF RED PHOSPHORUS AND A LANTHANIDE AND/OR YTTRIUM COMPOUND; NONTOXIC;ARC TRACKING RESISTANCE RHONE-POULENC SPECIALITIES CHIMIQUES (FR) 1985-12-17 US disclosed